Magnesium in PDB 4jn4: Allosteric Opening of the Polypeptide-Binding Site When An HSP70 Binds Atp

The structure of Allosteric Opening of the Polypeptide-Binding Site When An HSP70 Binds Atp, PDB code: 4jn4 was solved by R.Qi, E.B.Sarbeng, Q.Liu, K.Q.Le, X.Xu, H.Xu, J.Yang, J.L.Wong, C.Vorvis, W.A.Hendrickson, L.Zhou, Q.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.85 / 2.30
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	291.739, 291.739, 99.500, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 19.7

The binding sites of Magnesium atom in the Allosteric Opening of the Polypeptide-Binding Site When An HSP70 Binds Atp (pdb code 4jn4). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Allosteric Opening of the Polypeptide-Binding Site When An HSP70 Binds Atp, PDB code: 4jn4:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Allosteric Opening of the Polypeptide-Binding Site When An HSP70 Binds Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Allosteric Opening of the Polypeptide-Binding Site When An HSP70 Binds Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1001 b:13.1 occ:0.80 O1B A:ATP1002 2.2 14.3 1.0 O A:HOH1573 2.2 9.0 1.0 O A:HOH1439 2.2 10.2 1.0 O3G A:ATP1002 2.2 11.5 1.0 O A:HOH1103 2.3 11.8 1.0 O A:HOH1101 2.3 21.4 1.0 PB A:ATP1002 3.5 11.5 1.0 PG A:ATP1002 3.5 15.2 1.0 O3B A:ATP1002 3.8 15.5 1.0 O A:HOH1105 3.9 17.8 1.0 OE1 A:GLU171 3.9 23.1 1.0 O A:HOH1108 4.0 12.3 1.0 O A:HOH1119 4.1 24.7 1.0 OD1 A:ASP8 4.2 20.1 1.0 O1G A:ATP1002 4.2 15.2 1.0 O2A A:ATP1002 4.2 12.6 1.0 OD1 A:ASP194 4.2 20.3 1.0 OD2 A:ASP194 4.2 22.2 1.0 OD2 A:ASP8 4.2 16.3 1.0 O3A A:ATP1002 4.3 11.3 1.0 CD A:GLU171 4.4 27.9 1.0 O2G A:ATP1002 4.6 16.0 1.0 CG A:ASP8 4.6 16.2 1.0 CG A:ASP194 4.7 28.9 1.0 O2B A:ATP1002 4.7 7.8 1.0 OE2 A:GLU171 4.7 28.5 1.0 O A:HOH1171 4.8 29.4 1.0 PA A:ATP1002 4.8 12.1 1.0 CA A:GLY10 4.9 18.2 1.0 NZ A:LYS70 5.0 14.9 1.0

Magnesium binding site 2 out of 2 in the Allosteric Opening of the Polypeptide-Binding Site When An HSP70 Binds Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Allosteric Opening of the Polypeptide-Binding Site When An HSP70 Binds Atp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1001 b:9.9 occ:0.80 O3G B:ATP1002 2.1 11.4 1.0 O B:HOH1347 2.2 7.4 1.0 O B:HOH1432 2.2 8.0 1.0 O1B B:ATP1002 2.2 12.0 1.0 O B:HOH1101 2.2 12.0 1.0 O B:HOH1102 2.3 10.1 1.0 PG B:ATP1002 3.4 11.9 1.0 PB B:ATP1002 3.4 11.2 1.0 O3B B:ATP1002 3.7 6.7 1.0 OE1 B:GLU171 3.9 16.1 1.0 O B:HOH1120 4.0 20.8 1.0 O B:HOH1111 4.0 16.4 1.0 O B:HOH1109 4.1 12.4 1.0 OD1 B:ASP8 4.1 19.9 1.0 O1G B:ATP1002 4.2 12.1 1.0 OD2 B:ASP8 4.2 17.9 1.0 OD2 B:ASP194 4.2 20.0 1.0 O2A B:ATP1002 4.2 16.4 1.0 OD1 B:ASP194 4.3 18.9 1.0 CD B:GLU171 4.3 17.7 1.0 O3A B:ATP1002 4.3 9.1 1.0 O2G B:ATP1002 4.6 8.8 1.0 OE2 B:GLU171 4.6 27.1 1.0 CG B:ASP8 4.6 21.1 1.0 O2B B:ATP1002 4.6 9.5 1.0 CG B:ASP194 4.7 25.2 1.0 NZ B:LYS70 4.8 12.5 1.0 CA B:GLY10 4.9 9.2 1.0 PA B:ATP1002 4.9 11.0 1.0 O B:HOH1148 5.0 28.1 1.0

R.Qi, E.B.Sarbeng, Q.Liu, K.Q.Le, X.Xu, H.Xu, J.Yang, J.L.Wong, C.Vorvis, W.A.Hendrickson, L.Zhou, Q.Liu. Allosteric Opening of the Polypeptide-Binding Site When An HSP70 Binds Atp. Nat.Struct.Mol.Biol. V. 20 900 2013.
ISSN: ISSN 1545-9993
PubMed: 23708608
DOI: 10.1038/NSMB.2583